SCHEMBL1019550

SCHEMBL1019550

NC(=O)c1ccc(Nc2nc(NC3CCNCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.71
LRRK2 Q5S007 1/20 0.59
PTK2 Q05397 4/20 0.56
IRAK4 Q9NWZ3 1/20 0.53
SYK P43405 1/20 0.52
JAK3 P52333 5/20 0.50
BTK Q06187 5/20 0.50
KIT P10721 2/20 0.49
FLT3 P36888 2/20 0.49
JAK2 O60674 1/20 0.47
BRD4 O60885 1/20 0.47
MERTK Q12866 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12085318 0.94 LRRK2 (0.64) PAK4LRRK2IRAK4SYKJAK3
SCHEMBL14547888 0.92 SYK (0.62) PAK4LRRK2IRAK4SYKJAK3
SCHEMBL14547908 0.91 LRRK2 (0.60) PAK4LRRK2IRAK4SYKJAK3
SCHEMBL1015487 0.88 PTK2 (0.59) PAK4LRRK2PTK2IRAK4SYK
SCHEMBL12085425 0.82 MERTK (0.66) PAK4LRRK2PTK2IRAK4JAK3
SCHEMBL14547844 0.81 LRRK2 (0.56) PAK4LRRK2PTK2IRAK4SYK
SCHEMBL4377726 0.81 JAK3 (0.56) PAK4LRRK2IRAK4JAK3BTK
SCHEMBL14547954 0.80 PTK2 (0.60) PAK4LRRK2PTK2IRAK4SYK
SCHEMBL14287378 0.80 LRRK2 (0.69) PAK4LRRK2PTK2SYKJAK3
SCHEMBL12085429 0.79 PTK2 (0.64) PAK4PTK2IRAK4SYKJAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 CN disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 PAK4 762/4885LRRK2 1444/4885PTK2 17/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 PAK4 762/4885LRRK2 1444/4885PTK2 17/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.